1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea

C18H14N6O2S — CID 119105911

IUPAC1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea
SMILESO=C(NCc1nccnc1-c1ccco1)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C18H14N6O2S/c25-17(24-18-23-14(11-27-18)12-4-1-2-6-19-12)22-10-13-16(21-8-7-20-13)15-5-3-9-26-15/h1-9,11H,10H2,(H2,22,23,24,25)
InChIKeyHHLLHOXLEPCWFS-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.58
Rot. Bonds5

About 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea

1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea (PubChem CID 119105911) has the molecular formula C18H14N6O2S and a molecular weight of 378.42 g/mol. Its IUPAC name is 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea
PubChem CID119105911
Molecular FormulaC18H14N6O2S
Molecular Weight378.42 g/mol
Exact Mass378.09
IUPAC Name1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea
SMILESO=C(NCc1nccnc1-c1ccco1)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C18H14N6O2S/c25-17(24-18-23-14(11-27-18)12-4-1-2-6-19-12)22-10-13-16(21-8-7-20-13)15-5-3-9-26-15/h1-9,11H,10H2,(H2,22,23,24,25)
InChIKeyHHLLHOXLEPCWFS-UHFFFAOYSA-N
XLogP3.58
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea (CID 119105911) is 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea is O=C(NCc1nccnc1-c1ccco1)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea?
The InChIKey is HHLLHOXLEPCWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2S/c25-17(24-18-23-14(11-27-18)12-4-1-2-6-19-12)22-10-13-16(21-8-7-20-13)15-5-3-9-26-15/h1-9,11H,10H2,(H2,22,23,24,25).
What are the key properties of 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea?
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea has a molecular weight of 378.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 119105911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).